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1-(1-Adamantyl)-4-[(2-methyl-5-nitrophenyl)sulfonyl]piperazine
SpectraBase Compound ID 3kS1X7VBfSD
InChI InChI=1S/C21H29N3O4S/c1-15-2-3-19(24(25)26)11-20(15)29(27,28)23-6-4-22(5-7-23)21-12-16-8-17(13-21)10-18(9-16)14-21/h2-3,11,16-18H,4-10,12-14H2,1H3
InChIKey YCBCGRHOQPVXRO-UHFFFAOYSA-N
Mol Weight 419.54 g/mol
Molecular Formula C21H29N3O4S
Exact Mass 419.187878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nTTbleWKDX
Name 1-(1-Adamantyl)-4-[(2-methyl-5-nitrophenyl)sulfonyl]piperazine
Alternate Name(s) 1-Adamantan-1-yl-4-(2-methyl-5-nitro-benzenesulfonyl)-piperazine 1-(1-adamantyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29N3O4S
InChI InChI=1S/C21H29N3O4S/c1-15-2-3-19(24(25)26)11-20(15)29(27,28)23-6-4-22(5-7-23)21-12-16-8-17(13-21)10-18(9-16)14-21/h2-3,11,16-18H,4-10,12-14H2,1H3
InChIKey YCBCGRHOQPVXRO-UHFFFAOYSA-N
Molecular Weight 419.540 g/mol
SMILES C12(CC3CC(C2)CC(C1)C3)N1CCN(CC1)S(c1cc(ccc1C)N(=O)=O)(=O)=O
SPLASH splash10-014r-3790000000-ca60c3dc353796954c51
Wiley ID 1443359